CAS 56886-07-8 Propanehydrazonoyl chloride, N-(4-methoxyphenyl)-2-oxo- (HCID 2844936)

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Basic information

CAS: 56886-07-8
Standard SMILES: COc1ccc(NN=C(Cl)C(C)=O)cc1
InChIKey: KOWHSCBROLKANJ-UHFFFAOYSA-N
Molecular formula: C10H11ClN2O2
Average molar mass: 226.66 g/mol
Monoisotopic mass: 226.05090527

Names & identifiers

Preferred name: Propanehydrazonoyl chloride, N-(4-methoxyphenyl)-2-oxo-
IUPAC: N-(4-methoxyphenyl)-2-oxopropanehydrazonoyl chloride

Names & synonyms

N-(4-methoxyphenyl)-2-oxopropanehydrazonoyl chloridePropanehydrazonoyl chloride, N-(4-methoxyphenyl)-2-oxo-Apixaban Impurity 22556886-07-8SCHEMBL5168035DTXSID60385825KOWHSCBROLKANJ-UHFFFAOYSA-N1-chloro-1-[(4-methoxyphenyl) hydrazono]-2-propanone1-chloro-1-[(4-methoxyphenyl)hydrazono]-2-propanone

Database identifiers

CAS: 56886-07-8
PubChem CID: 2844936
DTXSID: DTXSID60385825

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 50.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 248

Related reactions

28 records

New reaction record

HRID 121380As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 148146As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161102As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161435As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 183480As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 203453As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 299152As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 317361As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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